(phenylmethyl) 4-[(E)-2-dimethoxyphosphorylethenyl]-1-(phenylsulfonyl)pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[(E)-2-dimethoxyphosphorylethenyl]-1-(phenylsulfonyl)pyrrole-2-carboxylate Openeye Name: benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylethenyl]-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylethenyl]pyrrole-2-carboxylate Traditional Name: 1-besyl-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylic acid benzyl ester Formula: C22H22NO7PS MolecularWeight: 475.451341

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C=CC1=CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COP(=O)(/C=C/C1=CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22NO7PS/c1-28-31(25,29-2)14-13-19-15-21(22(24)30-17-18-9-5-3-6-10-18)23(16-19)32(26,27)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3/b14-13+